2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C21H16N6S — CID 58094748

IUPAC2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESC=Cc1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn[nH]4)s3)n2c1
InChIInChI=1S/C21H16N6S/c1-3-14-9-10-16-24-13(2)18(27(16)11-14)21-25-17(15-7-5-4-6-8-15)19(28-21)20-22-12-23-26-20/h3-12H,1H2,2H3,(H,22,23,26)
InChIKeySOUBVSSZSBJERP-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.86
Rot. Bonds4

About 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58094748) has the molecular formula C21H16N6S and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID58094748
Molecular FormulaC21H16N6S
Molecular Weight384.47 g/mol
Exact Mass384.12
IUPAC Name2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESC=Cc1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn[nH]4)s3)n2c1
InChIInChI=1S/C21H16N6S/c1-3-14-9-10-16-24-13(2)18(27(16)11-14)21-25-17(15-7-5-4-6-8-15)19(28-21)20-22-12-23-26-20/h3-12H,1H2,2H3,(H,22,23,26)
InChIKeySOUBVSSZSBJERP-UHFFFAOYSA-N
XLogP4.86
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 58094748) is 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is C=Cc1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn[nH]4)s3)n2c1.
What is the InChIKey of 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is SOUBVSSZSBJERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6S/c1-3-14-9-10-16-24-13(2)18(27(16)11-14)21-25-17(15-7-5-4-6-8-15)19(28-21)20-22-12-23-26-20/h3-12H,1H2,2H3,(H,22,23,26).
What are the key properties of 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 384.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethenyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 58094748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).